SCHEMBL15638722

SCHEMBL15638722

OB(O)c1ccnn1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ FLT3 P36888 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ ABHD16A O95870 1/20 0.35
▸ NR3C1 P04150 3/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ORAI1 Q96D31 1/20 0.34
▸ ORAI2 Q96SN7 1/20 0.34
▸ ORAI3 Q9BRQ5 1/20 0.34
▸ TRPV6 Q9H1D0 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ KDM5A P29375 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15638493 0.81 ALDH1A1 (0.41) NR3C2FLT3MEN1KMT2ANOTUM
SCHEMBL15638654 0.81 MEN1 (0.43) OXTRNR3C2FLT3MEN1KMT2A
SCHEMBL519029 0.81 POLB (0.52) NR3C2KDM4E
SCHEMBL15638806 0.81 MGLL (0.44) OXTRNOTUMORAI1ORAI2ORAI3
SCHEMBL19142889 0.80 OXTR (0.34) OXTRNR3C2FLT3KDM4EMEN1
SCHEMBL596438 0.77 ENPP2 (0.44) KDM4ENOTUMMAPK14KDM5AKDM2B
SCHEMBL14696217 0.75 KDM4E (0.42) OXTRNR3C2FLT3KDM4EMEN1
SCHEMBL19143226 0.71 ALDH1A1 (0.39) NR3C2FLT3KMT2ANOTUMNPBWR1
SCHEMBL15779574 0.71 OXTR (0.48) OXTRNR3C2FLT3KDM4EMEN1
SCHEMBL15553415 0.71 OXTR (0.41) OXTRNR3C2FLT3KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903980-B1 BENZIMIDAZOLES AS CNS ACTIVE AGENTS HOFFMANN LA ROCHE (CH) 2017-07-19 — — EP disclosed
EP-2903980-B1 BENZIMIDAZOLES AS CNS ACTIVE AGENTS HOFFMANN LA ROCHE (CH) 2017-07-19 — — EP disclosed
CN-104703981-B As the benzimidazoles compound of CNS activity medicament 霍夫曼-拉罗奇有限公司 2017-03-29 — — CN disclosed
US-9365550-B2 Benzimidazoles as CNS active agents HOFFMANN-LA ROCHE INC. (US) 2016-06-14 — — US disclosed
US-9365550-B2 Benzimidazoles as CNS active agents HOFFMANN-LA ROCHE INC. (US) 2016-06-14 — — US disclosed
US-9365550-B2 Benzimidazoles as CNS active agents HOFFMANN-LA ROCHE INC. (US) 2016-06-14 — — US disclosed
EP-2903980-A1 BENZIMIDAZOLES AS CNS ACTIVE AGENTS F. Hoffmann-La Roche AG (CH) 2015-08-12 — — EP disclosed
US-20150203472-A1 BENZIMIDAZOLES AS CNS ACTIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 2015-07-23 — — US disclosed
US-20150203472-A1 BENZIMIDAZOLES AS CNS ACTIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 2015-07-23 — — US disclosed
US-20150203472-A1 BENZIMIDAZOLES AS CNS ACTIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 2015-07-23 — — US disclosed
CN-104703981-A Benzimidazol.es as CNS active agents HOFFMANN LA ROCHE 2015-06-10 — — CN disclosed
WO-2014053409-A1 BENZIMIDAZOL.ES AS CNS ACTIVE AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-10 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150203472-A1 BENZIMIDAZOLES AS CNS ACTIVE AGENTS CDR2, HTR2B, HCRTR1 OXTR 342/4885NR3C2 128/4885FLT3 2508/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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